USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 ASN : amide:sc= -0.0799 K(o=-0.24,f=-1.5) USER MOD Set 1.2: A 108 LYS NZ :NH3+ -154:sc= -0.165 (180deg=-1.21) USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= -0.485 USER MOD Set 2.2: A 104 GLN : amide:sc= 0 K(o=-0.49,f=0.54) USER MOD Set 3.1: A 60 THR OG1 : rot 32:sc= -3.24! USER MOD Set 3.2: A 67 ASN : amide:sc= -6.18! C(o=-9.4!,f=-6.3!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0927 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.81! K(o=-3.8!,f=-0.82) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -107:sc= -0.435 USER MOD Single : A 43 THR OG1 : rot 150:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-1.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 40:sc= 0.132 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -4.45! K(o=-4.4!,f=-0.37) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0266 (180deg=-0.261) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-7.6!) USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= -1.01 (180deg=-2.52!) USER MOD Single : A 79 TYR OH : rot -169:sc= 0.869 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 88 ASN : amide:sc= -2.98! C(o=-3!,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.729 USER MOD Single : A 95 ASN : amide:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.013) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 74:sc= 0.946 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.0798 (180deg=-0.493) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 145:sc= -0.22 (180deg=-1.26!) USER MOD Single : A 120 TYR OH : rot 80:sc= 0.559 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.318 -9.181 -13.991 1.00 0.00 N ATOM 2 CA LEU A 17 2.321 -8.555 -13.094 1.00 0.00 C ATOM 3 C LEU A 17 3.690 -9.159 -13.334 1.00 0.00 C ATOM 4 O LEU A 17 4.379 -9.529 -12.403 1.00 0.00 O ATOM 5 CB LEU A 17 1.938 -8.793 -11.635 1.00 0.00 C ATOM 6 CG LEU A 17 2.673 -7.776 -10.755 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.838 -6.503 -10.627 1.00 0.00 C ATOM 8 CD2 LEU A 17 2.882 -8.372 -9.375 1.00 0.00 C ATOM 0 HA LEU A 17 2.346 -7.486 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.860 -8.692 -11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.201 -9.808 -11.337 1.00 0.00 H new ATOM 0 HG LEU A 17 3.634 -7.535 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.365 -5.784 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.676 -6.073 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.876 -6.743 -10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.405 -7.653 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.915 -8.609 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.476 -9.282 -9.458 1.00 0.00 H new ATOM 22 N GLN A 18 4.069 -9.247 -14.574 1.00 0.00 N ATOM 23 CA GLN A 18 5.392 -9.825 -14.884 1.00 0.00 C ATOM 24 C GLN A 18 6.474 -8.866 -14.449 1.00 0.00 C ATOM 25 O GLN A 18 7.618 -9.238 -14.276 1.00 0.00 O ATOM 26 CB GLN A 18 5.492 -10.032 -16.400 1.00 0.00 C ATOM 27 CG GLN A 18 4.971 -8.779 -17.103 1.00 0.00 C ATOM 28 CD GLN A 18 5.856 -8.471 -18.309 1.00 0.00 C ATOM 29 OE1 GLN A 18 6.658 -7.557 -18.290 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.746 -9.209 -19.379 1.00 0.00 N ATOM 0 H GLN A 18 3.521 -8.945 -15.379 1.00 0.00 H new ATOM 0 HA GLN A 18 5.513 -10.774 -14.362 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.526 -10.224 -16.687 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.910 -10.903 -16.701 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.940 -8.930 -17.423 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.970 -7.935 -16.413 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.075 -9.977 -19.402 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.331 -9.018 -20.193 1.00 0.00 H new ATOM 39 N ASP A 19 6.083 -7.640 -14.281 1.00 0.00 N ATOM 40 CA ASP A 19 7.046 -6.618 -13.858 1.00 0.00 C ATOM 41 C ASP A 19 6.325 -5.347 -13.465 1.00 0.00 C ATOM 42 O ASP A 19 6.841 -4.536 -12.722 1.00 0.00 O ATOM 43 CB ASP A 19 7.958 -6.319 -15.031 1.00 0.00 C ATOM 44 CG ASP A 19 9.418 -6.403 -14.576 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.799 -5.530 -13.813 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.069 -7.337 -15.015 1.00 0.00 O ATOM 0 H ASP A 19 5.129 -7.308 -14.422 1.00 0.00 H new ATOM 0 HA ASP A 19 7.613 -6.981 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.776 -7.029 -15.838 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.746 -5.326 -15.427 1.00 0.00 H new ATOM 51 N ALA A 20 5.139 -5.201 -13.970 1.00 0.00 N ATOM 52 CA ALA A 20 4.339 -3.983 -13.646 1.00 0.00 C ATOM 53 C ALA A 20 5.111 -2.702 -13.990 1.00 0.00 C ATOM 54 O ALA A 20 6.173 -2.755 -14.580 1.00 0.00 O ATOM 55 CB ALA A 20 4.051 -3.982 -12.134 1.00 0.00 C ATOM 0 H ALA A 20 4.684 -5.868 -14.593 1.00 0.00 H new ATOM 0 HA ALA A 20 3.419 -4.004 -14.230 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.467 -3.099 -11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.490 -4.879 -11.870 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.992 -3.968 -11.584 1.00 0.00 H new ATOM 61 N GLU A 21 4.548 -1.573 -13.613 1.00 0.00 N ATOM 62 CA GLU A 21 5.219 -0.269 -13.899 1.00 0.00 C ATOM 63 C GLU A 21 5.214 0.603 -12.649 1.00 0.00 C ATOM 64 O GLU A 21 6.221 1.174 -12.280 1.00 0.00 O ATOM 65 CB GLU A 21 4.441 0.456 -15.010 1.00 0.00 C ATOM 66 CG GLU A 21 3.738 -0.578 -15.890 1.00 0.00 C ATOM 67 CD GLU A 21 3.143 0.123 -17.113 1.00 0.00 C ATOM 68 OE1 GLU A 21 3.924 0.743 -17.815 1.00 0.00 O ATOM 69 OE2 GLU A 21 1.940 -0.002 -17.275 1.00 0.00 O ATOM 0 H GLU A 21 3.657 -1.503 -13.122 1.00 0.00 H new ATOM 0 HA GLU A 21 6.248 -0.452 -14.209 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.710 1.137 -14.574 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.120 1.061 -15.611 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.445 -1.346 -16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.952 -1.080 -15.325 1.00 0.00 H new ATOM 76 N TRP A 22 4.069 0.694 -12.023 1.00 0.00 N ATOM 77 CA TRP A 22 3.968 1.523 -10.792 1.00 0.00 C ATOM 78 C TRP A 22 4.851 0.940 -9.707 1.00 0.00 C ATOM 79 O TRP A 22 5.408 1.649 -8.889 1.00 0.00 O ATOM 80 CB TRP A 22 2.512 1.502 -10.312 1.00 0.00 C ATOM 81 CG TRP A 22 1.629 0.954 -11.443 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.153 1.700 -12.419 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.305 -0.313 -11.612 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.517 0.823 -13.217 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.568 -0.482 -12.773 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.574 -1.413 -10.817 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.115 -1.734 -13.131 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.115 -2.654 -11.175 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.389 -2.818 -12.327 1.00 0.00 C ATOM 0 H TRP A 22 3.206 0.232 -12.311 1.00 0.00 H new ATOM 0 HA TRP A 22 4.287 2.543 -11.007 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.416 0.879 -9.422 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.191 2.506 -10.035 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.251 2.768 -12.549 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.039 1.099 -14.075 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.148 -1.293 -9.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.453 -1.864 -14.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.326 -3.507 -10.547 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.032 -3.799 -12.604 1.00 0.00 H new ATOM 100 N TYR A 23 4.956 -0.348 -9.731 1.00 0.00 N ATOM 101 CA TYR A 23 5.789 -1.054 -8.731 1.00 0.00 C ATOM 102 C TYR A 23 7.191 -1.279 -9.291 1.00 0.00 C ATOM 103 O TYR A 23 7.348 -1.727 -10.409 1.00 0.00 O ATOM 104 CB TYR A 23 5.133 -2.426 -8.455 1.00 0.00 C ATOM 105 CG TYR A 23 3.662 -2.278 -7.930 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.103 -1.039 -7.566 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.862 -3.406 -7.836 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.791 -0.965 -7.131 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.554 -3.315 -7.399 1.00 0.00 C ATOM 110 CZ TYR A 23 1.011 -2.098 -7.046 1.00 0.00 C ATOM 111 OH TYR A 23 -0.301 -2.011 -6.620 1.00 0.00 O ATOM 0 H TYR A 23 4.494 -0.953 -10.410 1.00 0.00 H new ATOM 0 HA TYR A 23 5.861 -0.464 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.134 -3.019 -9.370 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.727 -2.971 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.701 -0.141 -7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.267 -4.370 -8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.374 -0.008 -6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.950 -4.208 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.705 -2.904 -6.621 1.00 0.00 H new ATOM 121 N TRP A 24 8.189 -0.964 -8.504 1.00 0.00 N ATOM 122 CA TRP A 24 9.575 -1.158 -8.991 1.00 0.00 C ATOM 123 C TRP A 24 10.046 -2.563 -8.656 1.00 0.00 C ATOM 124 O TRP A 24 11.227 -2.847 -8.669 1.00 0.00 O ATOM 125 CB TRP A 24 10.517 -0.162 -8.279 1.00 0.00 C ATOM 126 CG TRP A 24 9.990 1.292 -8.358 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.802 1.677 -8.847 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.645 2.315 -7.886 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.791 3.002 -8.617 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.929 3.480 -8.016 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.904 2.340 -7.324 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.457 4.667 -7.591 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.442 3.533 -6.894 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.718 4.700 -7.027 1.00 0.00 C ATOM 0 H TRP A 24 8.100 -0.587 -7.560 1.00 0.00 H new ATOM 0 HA TRP A 24 9.592 -0.999 -10.069 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.628 -0.451 -7.234 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.508 -0.214 -8.731 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.039 1.070 -9.312 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.004 3.601 -8.868 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.468 1.425 -7.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.888 5.579 -7.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.428 3.555 -6.454 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.136 5.637 -6.691 1.00 0.00 H new ATOM 145 N GLY A 25 9.106 -3.414 -8.357 1.00 0.00 N ATOM 146 CA GLY A 25 9.458 -4.813 -8.013 1.00 0.00 C ATOM 147 C GLY A 25 9.445 -4.987 -6.505 1.00 0.00 C ATOM 148 O GLY A 25 8.685 -5.768 -5.965 1.00 0.00 O ATOM 0 H GLY A 25 8.109 -3.198 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.749 -5.501 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.444 -5.058 -8.409 1.00 0.00 H new ATOM 152 N ASP A 26 10.297 -4.256 -5.857 1.00 0.00 N ATOM 153 CA ASP A 26 10.380 -4.336 -4.373 1.00 0.00 C ATOM 154 C ASP A 26 11.534 -3.478 -3.848 1.00 0.00 C ATOM 155 O ASP A 26 12.663 -3.637 -4.272 1.00 0.00 O ATOM 156 CB ASP A 26 10.639 -5.810 -3.963 1.00 0.00 C ATOM 157 CG ASP A 26 11.973 -5.915 -3.219 1.00 0.00 C ATOM 158 OD1 ASP A 26 12.978 -5.950 -3.911 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.913 -5.961 -2.003 1.00 0.00 O ATOM 0 H ASP A 26 10.946 -3.600 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 26 9.443 -3.972 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.829 -6.168 -3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.655 -6.446 -4.848 1.00 0.00 H new ATOM 164 N ILE A 27 11.227 -2.562 -2.950 1.00 0.00 N ATOM 165 CA ILE A 27 12.315 -1.692 -2.397 1.00 0.00 C ATOM 166 C ILE A 27 12.137 -1.492 -0.888 1.00 0.00 C ATOM 167 O ILE A 27 11.900 -2.436 -0.161 1.00 0.00 O ATOM 168 CB ILE A 27 12.300 -0.310 -3.103 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.923 0.402 -2.941 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.639 -0.509 -4.600 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.944 0.037 -4.073 1.00 0.00 C ATOM 0 H ILE A 27 10.291 -2.384 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 27 13.270 -2.186 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 27 13.048 0.332 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.485 0.128 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.073 1.481 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.631 0.456 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.627 -0.959 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.897 -1.164 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.998 0.557 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.369 0.335 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.771 -1.039 -4.072 1.00 0.00 H new ATOM 183 N SER A 28 12.258 -0.267 -0.447 1.00 0.00 N ATOM 184 CA SER A 28 12.101 0.009 0.994 1.00 0.00 C ATOM 185 C SER A 28 11.761 1.473 1.217 1.00 0.00 C ATOM 186 O SER A 28 11.648 2.235 0.281 1.00 0.00 O ATOM 187 CB SER A 28 13.429 -0.306 1.698 1.00 0.00 C ATOM 188 OG SER A 28 13.041 -0.796 2.972 1.00 0.00 O ATOM 0 H SER A 28 12.458 0.547 -1.028 1.00 0.00 H new ATOM 0 HA SER A 28 11.296 -0.607 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.006 -1.047 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.053 0.583 1.787 1.00 0.00 H new ATOM 0 HG SER A 28 13.840 -1.025 3.492 1.00 0.00 H new ATOM 194 N ARG A 29 11.610 1.842 2.453 1.00 0.00 N ATOM 195 CA ARG A 29 11.278 3.248 2.751 1.00 0.00 C ATOM 196 C ARG A 29 12.381 4.167 2.273 1.00 0.00 C ATOM 197 O ARG A 29 12.200 5.356 2.181 1.00 0.00 O ATOM 198 CB ARG A 29 11.124 3.403 4.272 1.00 0.00 C ATOM 199 CG ARG A 29 12.250 2.642 4.981 1.00 0.00 C ATOM 200 CD ARG A 29 11.685 1.360 5.593 1.00 0.00 C ATOM 201 NE ARG A 29 12.798 0.591 6.216 1.00 0.00 N ATOM 202 CZ ARG A 29 12.934 0.598 7.512 1.00 0.00 C ATOM 203 NH1 ARG A 29 12.863 1.736 8.149 1.00 0.00 N ATOM 204 NH2 ARG A 29 13.135 -0.533 8.130 1.00 0.00 N ATOM 0 H ARG A 29 11.702 1.231 3.264 1.00 0.00 H new ATOM 0 HA ARG A 29 10.353 3.513 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.155 4.458 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.155 3.020 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.044 2.402 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.693 3.265 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.929 1.601 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.196 0.760 4.826 1.00 0.00 H new ATOM 0 HE ARG A 29 13.448 0.063 5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.703 2.601 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.967 1.760 9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.183 -1.403 7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.244 -0.548 9.144 1.00 0.00 H new ATOM 218 N GLU A 30 13.507 3.603 1.974 1.00 0.00 N ATOM 219 CA GLU A 30 14.618 4.447 1.503 1.00 0.00 C ATOM 220 C GLU A 30 14.340 4.981 0.114 1.00 0.00 C ATOM 221 O GLU A 30 14.319 6.170 -0.094 1.00 0.00 O ATOM 222 CB GLU A 30 15.895 3.604 1.458 1.00 0.00 C ATOM 223 CG GLU A 30 16.123 2.981 2.828 1.00 0.00 C ATOM 224 CD GLU A 30 17.612 2.677 3.000 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.094 1.872 2.220 1.00 0.00 O ATOM 226 OE2 GLU A 30 18.185 3.267 3.901 1.00 0.00 O ATOM 0 H GLU A 30 13.703 2.604 2.035 1.00 0.00 H new ATOM 0 HA GLU A 30 14.731 5.288 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.806 2.826 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.747 4.225 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.785 3.661 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.539 2.066 2.927 1.00 0.00 H new ATOM 233 N GLU A 31 14.112 4.092 -0.816 1.00 0.00 N ATOM 234 CA GLU A 31 13.834 4.551 -2.196 1.00 0.00 C ATOM 235 C GLU A 31 12.447 5.160 -2.286 1.00 0.00 C ATOM 236 O GLU A 31 12.269 6.236 -2.829 1.00 0.00 O ATOM 237 CB GLU A 31 13.916 3.339 -3.133 1.00 0.00 C ATOM 238 CG GLU A 31 15.139 2.503 -2.754 1.00 0.00 C ATOM 239 CD GLU A 31 16.374 3.406 -2.722 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.469 4.227 -3.620 1.00 0.00 O ATOM 241 OE2 GLU A 31 17.152 3.226 -1.799 1.00 0.00 O ATOM 0 H GLU A 31 14.107 3.082 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 31 14.564 5.309 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.010 2.739 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.991 3.668 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.989 2.037 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.281 1.697 -3.474 1.00 0.00 H new ATOM 248 N VAL A 32 11.482 4.469 -1.747 1.00 0.00 N ATOM 249 CA VAL A 32 10.103 4.998 -1.794 1.00 0.00 C ATOM 250 C VAL A 32 10.080 6.433 -1.277 1.00 0.00 C ATOM 251 O VAL A 32 9.776 7.357 -2.001 1.00 0.00 O ATOM 252 CB VAL A 32 9.220 4.120 -0.868 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.975 4.919 -0.443 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.792 2.827 -1.612 1.00 0.00 C ATOM 0 H VAL A 32 11.593 3.569 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 32 9.733 4.980 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 32 9.791 3.841 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.353 4.304 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.284 5.817 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.405 5.203 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.173 2.217 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.224 3.092 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.679 2.263 -1.901 1.00 0.00 H new ATOM 264 N ASN A 33 10.408 6.582 -0.025 1.00 0.00 N ATOM 265 CA ASN A 33 10.419 7.940 0.587 1.00 0.00 C ATOM 266 C ASN A 33 11.257 8.939 -0.214 1.00 0.00 C ATOM 267 O ASN A 33 10.728 9.844 -0.827 1.00 0.00 O ATOM 268 CB ASN A 33 11.028 7.826 1.996 1.00 0.00 C ATOM 269 CG ASN A 33 10.740 9.106 2.788 1.00 0.00 C ATOM 270 OD1 ASN A 33 10.325 9.060 3.930 1.00 0.00 O ATOM 271 ND2 ASN A 33 10.946 10.266 2.226 1.00 0.00 N ATOM 0 H ASN A 33 10.669 5.821 0.602 1.00 0.00 H new ATOM 0 HA ASN A 33 9.392 8.305 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.609 6.964 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.104 7.664 1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.759 11.124 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.294 10.314 1.268 1.00 0.00 H new ATOM 278 N GLU A 34 12.550 8.759 -0.189 1.00 0.00 N ATOM 279 CA GLU A 34 13.439 9.696 -0.941 1.00 0.00 C ATOM 280 C GLU A 34 12.896 10.034 -2.326 1.00 0.00 C ATOM 281 O GLU A 34 13.314 11.006 -2.924 1.00 0.00 O ATOM 282 CB GLU A 34 14.827 9.054 -1.110 1.00 0.00 C ATOM 283 CG GLU A 34 15.611 9.164 0.208 1.00 0.00 C ATOM 284 CD GLU A 34 14.672 8.928 1.391 1.00 0.00 C ATOM 285 OE1 GLU A 34 14.532 7.769 1.749 1.00 0.00 O ATOM 286 OE2 GLU A 34 14.144 9.918 1.870 1.00 0.00 O ATOM 0 H GLU A 34 13.028 8.011 0.314 1.00 0.00 H new ATOM 0 HA GLU A 34 13.494 10.619 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.722 8.007 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.373 9.551 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.420 8.433 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.070 10.149 0.287 1.00 0.00 H new ATOM 293 N LYS A 35 11.981 9.240 -2.815 1.00 0.00 N ATOM 294 CA LYS A 35 11.420 9.529 -4.168 1.00 0.00 C ATOM 295 C LYS A 35 10.087 10.254 -4.086 1.00 0.00 C ATOM 296 O LYS A 35 9.709 10.965 -4.997 1.00 0.00 O ATOM 297 CB LYS A 35 11.223 8.209 -4.894 1.00 0.00 C ATOM 298 CG LYS A 35 10.730 8.472 -6.323 1.00 0.00 C ATOM 299 CD LYS A 35 11.741 9.333 -7.090 1.00 0.00 C ATOM 300 CE LYS A 35 11.663 8.986 -8.580 1.00 0.00 C ATOM 301 NZ LYS A 35 12.340 10.033 -9.399 1.00 0.00 N ATOM 0 H LYS A 35 11.602 8.417 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 35 12.117 10.176 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.161 7.654 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.501 7.592 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.581 7.525 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.763 8.975 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.526 10.391 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.749 9.155 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.131 8.018 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.620 8.897 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.277 9.781 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.876 10.950 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.340 10.099 -9.121 1.00 0.00 H new ATOM 315 N LEU A 36 9.401 10.066 -3.008 1.00 0.00 N ATOM 316 CA LEU A 36 8.090 10.743 -2.858 1.00 0.00 C ATOM 317 C LEU A 36 8.244 12.077 -2.141 1.00 0.00 C ATOM 318 O LEU A 36 7.282 12.792 -1.943 1.00 0.00 O ATOM 319 CB LEU A 36 7.171 9.838 -2.029 1.00 0.00 C ATOM 320 CG LEU A 36 6.891 8.556 -2.817 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.038 7.620 -1.965 1.00 0.00 C ATOM 322 CD2 LEU A 36 6.134 8.887 -4.102 1.00 0.00 C ATOM 0 H LEU A 36 9.685 9.477 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 36 7.671 10.928 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.640 9.598 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.237 10.354 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 36 7.837 8.077 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.835 6.705 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.572 7.376 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.096 8.110 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.939 7.969 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.188 9.368 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.734 9.560 -4.715 1.00 0.00 H new ATOM 334 N ARG A 37 9.453 12.389 -1.763 1.00 0.00 N ATOM 335 CA ARG A 37 9.683 13.676 -1.057 1.00 0.00 C ATOM 336 C ARG A 37 9.671 14.840 -2.039 1.00 0.00 C ATOM 337 O ARG A 37 9.603 15.988 -1.648 1.00 0.00 O ATOM 338 CB ARG A 37 11.057 13.616 -0.361 1.00 0.00 C ATOM 339 CG ARG A 37 12.166 13.496 -1.413 1.00 0.00 C ATOM 340 CD ARG A 37 12.985 14.785 -1.423 1.00 0.00 C ATOM 341 NE ARG A 37 14.075 14.655 -2.429 1.00 0.00 N ATOM 342 CZ ARG A 37 14.754 15.712 -2.780 1.00 0.00 C ATOM 343 NH1 ARG A 37 15.627 16.208 -1.945 1.00 0.00 N ATOM 344 NH2 ARG A 37 14.539 16.238 -3.954 1.00 0.00 N ATOM 0 H ARG A 37 10.282 11.814 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 37 8.888 13.830 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.209 14.512 0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.094 12.765 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.808 12.644 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.733 13.318 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.347 15.635 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.404 14.973 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 37 14.289 13.747 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.769 15.769 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.167 17.034 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.849 15.823 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.060 17.065 -4.246 1.00 0.00 H new ATOM 358 N ASP A 38 9.737 14.513 -3.303 1.00 0.00 N ATOM 359 CA ASP A 38 9.731 15.577 -4.341 1.00 0.00 C ATOM 360 C ASP A 38 8.883 15.162 -5.543 1.00 0.00 C ATOM 361 O ASP A 38 9.397 14.921 -6.618 1.00 0.00 O ATOM 362 CB ASP A 38 11.180 15.809 -4.806 1.00 0.00 C ATOM 363 CG ASP A 38 11.286 17.191 -5.456 1.00 0.00 C ATOM 364 OD1 ASP A 38 11.441 18.134 -4.697 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.207 17.225 -6.672 1.00 0.00 O ATOM 0 H ASP A 38 9.794 13.558 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 38 9.306 16.487 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.862 15.739 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.475 15.036 -5.516 1.00 0.00 H new ATOM 370 N THR A 39 7.593 15.085 -5.335 1.00 0.00 N ATOM 371 CA THR A 39 6.688 14.690 -6.447 1.00 0.00 C ATOM 372 C THR A 39 5.394 15.493 -6.397 1.00 0.00 C ATOM 373 O THR A 39 5.332 16.534 -5.770 1.00 0.00 O ATOM 374 CB THR A 39 6.350 13.201 -6.294 1.00 0.00 C ATOM 375 OG1 THR A 39 7.224 12.721 -5.294 1.00 0.00 O ATOM 376 CG2 THR A 39 6.743 12.419 -7.557 1.00 0.00 C ATOM 0 H THR A 39 7.132 15.278 -4.446 1.00 0.00 H new ATOM 0 HA THR A 39 7.186 14.882 -7.398 1.00 0.00 H new ATOM 0 HB THR A 39 5.286 13.083 -6.087 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.912 12.157 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.494 11.366 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.200 12.816 -8.414 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.815 12.520 -7.728 1.00 0.00 H new ATOM 384 N ALA A 40 4.384 14.999 -7.057 1.00 0.00 N ATOM 385 CA ALA A 40 3.089 15.724 -7.057 1.00 0.00 C ATOM 386 C ALA A 40 2.293 15.423 -5.790 1.00 0.00 C ATOM 387 O ALA A 40 2.846 14.997 -4.794 1.00 0.00 O ATOM 388 CB ALA A 40 2.274 15.259 -8.274 1.00 0.00 C ATOM 0 H ALA A 40 4.401 14.131 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 40 3.283 16.796 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.317 15.781 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.826 15.481 -9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.100 14.185 -8.207 1.00 0.00 H new ATOM 394 N ASP A 41 1.005 15.650 -5.862 1.00 0.00 N ATOM 395 CA ASP A 41 0.133 15.392 -4.686 1.00 0.00 C ATOM 396 C ASP A 41 -0.766 14.194 -4.949 1.00 0.00 C ATOM 397 O ASP A 41 -1.972 14.318 -5.012 1.00 0.00 O ATOM 398 CB ASP A 41 -0.746 16.631 -4.460 1.00 0.00 C ATOM 399 CG ASP A 41 -1.315 16.599 -3.040 1.00 0.00 C ATOM 400 OD1 ASP A 41 -2.150 15.739 -2.813 1.00 0.00 O ATOM 401 OD2 ASP A 41 -0.884 17.436 -2.266 1.00 0.00 O ATOM 0 H ASP A 41 0.523 16.004 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 41 0.750 15.186 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.160 17.538 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.557 16.653 -5.188 1.00 0.00 H new ATOM 406 N GLY A 42 -0.156 13.055 -5.099 1.00 0.00 N ATOM 407 CA GLY A 42 -0.950 11.818 -5.362 1.00 0.00 C ATOM 408 C GLY A 42 -0.107 10.807 -6.149 1.00 0.00 C ATOM 409 O GLY A 42 -0.428 10.465 -7.270 1.00 0.00 O ATOM 0 H GLY A 42 0.854 12.923 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.274 11.377 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.851 12.067 -5.923 1.00 0.00 H new ATOM 413 N THR A 43 0.953 10.351 -5.538 1.00 0.00 N ATOM 414 CA THR A 43 1.837 9.364 -6.217 1.00 0.00 C ATOM 415 C THR A 43 1.572 7.956 -5.688 1.00 0.00 C ATOM 416 O THR A 43 0.943 7.804 -4.667 1.00 0.00 O ATOM 417 CB THR A 43 3.271 9.747 -5.877 1.00 0.00 C ATOM 418 OG1 THR A 43 3.291 11.161 -5.882 1.00 0.00 O ATOM 419 CG2 THR A 43 4.238 9.346 -6.991 1.00 0.00 C ATOM 0 H THR A 43 1.244 10.620 -4.598 1.00 0.00 H new ATOM 0 HA THR A 43 1.654 9.372 -7.292 1.00 0.00 H new ATOM 0 HB THR A 43 3.560 9.271 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.965 11.481 -5.247 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.252 9.635 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.196 8.267 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.957 9.850 -7.916 1.00 0.00 H new ATOM 427 N PHE A 44 2.060 6.935 -6.380 1.00 0.00 N ATOM 428 CA PHE A 44 1.805 5.557 -5.869 1.00 0.00 C ATOM 429 C PHE A 44 2.763 4.509 -6.420 1.00 0.00 C ATOM 430 O PHE A 44 3.006 4.426 -7.608 1.00 0.00 O ATOM 431 CB PHE A 44 0.362 5.159 -6.218 1.00 0.00 C ATOM 432 CG PHE A 44 0.181 4.983 -7.736 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.267 6.067 -8.596 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.189 3.753 -8.255 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.026 5.916 -9.932 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.480 3.616 -9.592 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.398 4.691 -10.427 1.00 0.00 C ATOM 0 H PHE A 44 2.602 7.002 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 44 1.966 5.584 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.106 4.230 -5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.326 5.922 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.565 7.033 -8.216 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.249 2.894 -7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.037 6.766 -10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.775 2.653 -9.982 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.626 4.579 -11.477 1.00 0.00 H new ATOM 447 N LEU A 45 3.289 3.719 -5.506 1.00 0.00 N ATOM 448 CA LEU A 45 4.237 2.647 -5.885 1.00 0.00 C ATOM 449 C LEU A 45 4.091 1.473 -4.904 1.00 0.00 C ATOM 450 O LEU A 45 3.116 1.408 -4.178 1.00 0.00 O ATOM 451 CB LEU A 45 5.689 3.194 -5.862 1.00 0.00 C ATOM 452 CG LEU A 45 5.859 4.249 -4.754 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.665 3.593 -3.390 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.273 4.824 -4.817 1.00 0.00 C ATOM 0 H LEU A 45 3.092 3.782 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 45 4.015 2.300 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.389 2.374 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.932 3.634 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 45 5.123 5.040 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.786 4.341 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.665 3.164 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.406 2.805 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.397 5.572 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.998 4.023 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.434 5.288 -5.790 1.00 0.00 H new ATOM 466 N VAL A 46 5.052 0.574 -4.891 1.00 0.00 N ATOM 467 CA VAL A 46 4.959 -0.595 -3.955 1.00 0.00 C ATOM 468 C VAL A 46 6.001 -0.509 -2.834 1.00 0.00 C ATOM 469 O VAL A 46 6.885 0.316 -2.861 1.00 0.00 O ATOM 470 CB VAL A 46 5.156 -1.898 -4.809 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.277 -2.805 -4.255 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.847 -2.687 -4.792 1.00 0.00 C ATOM 0 H VAL A 46 5.885 0.599 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 46 3.985 -0.601 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 46 5.439 -1.596 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.371 -3.691 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.220 -2.259 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.032 -3.106 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.963 -3.597 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.593 -2.949 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.050 -2.078 -5.219 1.00 0.00 H new ATOM 482 N ARG A 47 5.848 -1.364 -1.865 1.00 0.00 N ATOM 483 CA ARG A 47 6.785 -1.389 -0.723 1.00 0.00 C ATOM 484 C ARG A 47 6.941 -2.823 -0.260 1.00 0.00 C ATOM 485 O ARG A 47 6.049 -3.383 0.348 1.00 0.00 O ATOM 486 CB ARG A 47 6.204 -0.552 0.428 1.00 0.00 C ATOM 487 CG ARG A 47 7.349 0.123 1.195 1.00 0.00 C ATOM 488 CD ARG A 47 8.289 -0.956 1.749 1.00 0.00 C ATOM 489 NE ARG A 47 8.953 -0.445 2.978 1.00 0.00 N ATOM 490 CZ ARG A 47 9.216 -1.277 3.948 1.00 0.00 C ATOM 491 NH1 ARG A 47 10.171 -2.155 3.788 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.513 -1.207 5.044 1.00 0.00 N ATOM 0 H ARG A 47 5.100 -2.056 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 47 7.750 -0.980 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.520 0.201 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.627 -1.188 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.897 0.796 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.950 0.728 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.728 -1.863 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.037 -1.222 1.002 1.00 0.00 H new ATOM 0 HE ARG A 47 9.199 0.541 3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.698 -2.182 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.390 -2.813 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.773 -0.511 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.703 -1.849 5.814 1.00 0.00 H new ATOM 506 N ASP A 48 8.062 -3.391 -0.561 1.00 0.00 N ATOM 507 CA ASP A 48 8.312 -4.788 -0.158 1.00 0.00 C ATOM 508 C ASP A 48 7.804 -5.089 1.251 1.00 0.00 C ATOM 509 O ASP A 48 7.832 -4.243 2.123 1.00 0.00 O ATOM 510 CB ASP A 48 9.825 -5.025 -0.204 1.00 0.00 C ATOM 511 CG ASP A 48 10.106 -6.528 -0.182 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.768 -7.157 -1.172 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.644 -6.964 0.822 1.00 0.00 O ATOM 0 H ASP A 48 8.822 -2.944 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 48 7.776 -5.446 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.247 -4.578 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.306 -4.542 0.647 1.00 0.00 H new ATOM 518 N ALA A 49 7.342 -6.306 1.440 1.00 0.00 N ATOM 519 CA ALA A 49 6.826 -6.701 2.775 1.00 0.00 C ATOM 520 C ALA A 49 7.956 -7.236 3.654 1.00 0.00 C ATOM 521 O ALA A 49 7.798 -7.381 4.852 1.00 0.00 O ATOM 522 CB ALA A 49 5.792 -7.821 2.576 1.00 0.00 C ATOM 0 H ALA A 49 7.304 -7.033 0.726 1.00 0.00 H new ATOM 0 HA ALA A 49 6.383 -5.831 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.398 -8.129 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.976 -7.456 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.268 -8.673 2.091 1.00 0.00 H new ATOM 528 N SER A 50 9.076 -7.529 3.037 1.00 0.00 N ATOM 529 CA SER A 50 10.239 -8.054 3.811 1.00 0.00 C ATOM 530 C SER A 50 10.055 -9.513 4.224 1.00 0.00 C ATOM 531 O SER A 50 10.970 -10.305 4.119 1.00 0.00 O ATOM 532 CB SER A 50 10.387 -7.208 5.087 1.00 0.00 C ATOM 533 OG SER A 50 11.787 -7.164 5.311 1.00 0.00 O ATOM 0 H SER A 50 9.232 -7.427 2.034 1.00 0.00 H new ATOM 0 HA SER A 50 11.121 -7.995 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.973 -6.209 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.862 -7.660 5.929 1.00 0.00 H new ATOM 0 HG SER A 50 11.973 -6.636 6.115 1.00 0.00 H new ATOM 539 N THR A 51 8.885 -9.842 4.687 1.00 0.00 N ATOM 540 CA THR A 51 8.635 -11.246 5.112 1.00 0.00 C ATOM 541 C THR A 51 8.644 -12.226 3.940 1.00 0.00 C ATOM 542 O THR A 51 9.001 -13.375 4.109 1.00 0.00 O ATOM 543 CB THR A 51 7.264 -11.293 5.790 1.00 0.00 C ATOM 544 OG1 THR A 51 6.321 -11.174 4.742 1.00 0.00 O ATOM 545 CG2 THR A 51 7.044 -10.041 6.653 1.00 0.00 C ATOM 0 H THR A 51 8.095 -9.205 4.790 1.00 0.00 H new ATOM 0 HA THR A 51 9.435 -11.547 5.788 1.00 0.00 H new ATOM 0 HB THR A 51 7.180 -12.196 6.394 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.414 -11.199 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.064 -10.093 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.816 -9.988 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.096 -9.152 6.024 1.00 0.00 H new ATOM 553 N LYS A 52 8.269 -11.746 2.778 1.00 0.00 N ATOM 554 CA LYS A 52 8.239 -12.632 1.554 1.00 0.00 C ATOM 555 C LYS A 52 7.928 -14.084 1.921 1.00 0.00 C ATOM 556 O LYS A 52 8.703 -14.981 1.650 1.00 0.00 O ATOM 557 CB LYS A 52 9.610 -12.574 0.839 1.00 0.00 C ATOM 558 CG LYS A 52 10.742 -12.840 1.837 1.00 0.00 C ATOM 559 CD LYS A 52 12.063 -12.981 1.072 1.00 0.00 C ATOM 560 CE LYS A 52 13.148 -13.482 2.029 1.00 0.00 C ATOM 561 NZ LYS A 52 14.474 -12.908 1.664 1.00 0.00 N ATOM 0 H LYS A 52 7.981 -10.781 2.617 1.00 0.00 H new ATOM 0 HA LYS A 52 7.451 -12.267 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.641 -13.312 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.746 -11.596 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.809 -12.023 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.537 -13.748 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.944 -13.677 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.353 -12.022 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.895 -13.205 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.195 -14.570 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.198 -13.259 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.721 -13.194 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.430 -11.870 1.718 1.00 0.00 H new ATOM 575 N MET A 53 6.789 -14.284 2.516 1.00 0.00 N ATOM 576 CA MET A 53 6.394 -15.650 2.915 1.00 0.00 C ATOM 577 C MET A 53 4.892 -15.800 2.816 1.00 0.00 C ATOM 578 O MET A 53 4.179 -15.575 3.771 1.00 0.00 O ATOM 579 CB MET A 53 6.820 -15.872 4.373 1.00 0.00 C ATOM 580 CG MET A 53 8.223 -16.474 4.397 1.00 0.00 C ATOM 581 SD MET A 53 8.975 -16.762 6.017 1.00 0.00 S ATOM 582 CE MET A 53 10.636 -17.169 5.424 1.00 0.00 C ATOM 0 H MET A 53 6.114 -13.553 2.742 1.00 0.00 H new ATOM 0 HA MET A 53 6.872 -16.377 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.807 -14.927 4.917 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.117 -16.538 4.873 1.00 0.00 H new ATOM 0 HG2 MET A 53 8.191 -17.425 3.866 1.00 0.00 H new ATOM 0 HG3 MET A 53 8.882 -15.816 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 53 11.283 -17.387 6.274 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.586 -18.042 4.773 1.00 0.00 H new ATOM 0 HE3 MET A 53 11.041 -16.324 4.867 1.00 0.00 H new ATOM 592 N HIS A 54 4.442 -16.172 1.655 1.00 0.00 N ATOM 593 CA HIS A 54 2.982 -16.348 1.446 1.00 0.00 C ATOM 594 C HIS A 54 2.302 -14.993 1.463 1.00 0.00 C ATOM 595 O HIS A 54 1.128 -14.877 1.750 1.00 0.00 O ATOM 596 CB HIS A 54 2.405 -17.234 2.569 1.00 0.00 C ATOM 597 CG HIS A 54 3.447 -18.279 2.969 1.00 0.00 C ATOM 598 ND1 HIS A 54 3.572 -18.762 4.114 1.00 0.00 N ATOM 599 CD2 HIS A 54 4.419 -18.894 2.203 1.00 0.00 C ATOM 600 CE1 HIS A 54 4.512 -19.613 4.159 1.00 0.00 C ATOM 601 NE2 HIS A 54 5.116 -19.766 2.981 1.00 0.00 N ATOM 0 H HIS A 54 5.024 -16.362 0.839 1.00 0.00 H new ATOM 0 HA HIS A 54 2.807 -16.827 0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.137 -16.622 3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.492 -17.724 2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.597 -18.711 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.791 -20.153 5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.894 -20.375 2.729 1.00 0.00 H new ATOM 609 N GLY A 55 3.075 -13.986 1.154 1.00 0.00 N ATOM 610 CA GLY A 55 2.536 -12.602 1.130 1.00 0.00 C ATOM 611 C GLY A 55 3.208 -11.821 -0.001 1.00 0.00 C ATOM 612 O GLY A 55 4.215 -12.249 -0.533 1.00 0.00 O ATOM 0 H GLY A 55 4.064 -14.067 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.456 -12.622 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.719 -12.111 2.086 1.00 0.00 H new ATOM 616 N ASP A 56 2.645 -10.696 -0.343 1.00 0.00 N ATOM 617 CA ASP A 56 3.236 -9.883 -1.434 1.00 0.00 C ATOM 618 C ASP A 56 4.029 -8.716 -0.879 1.00 0.00 C ATOM 619 O ASP A 56 5.119 -8.891 -0.376 1.00 0.00 O ATOM 620 CB ASP A 56 2.093 -9.342 -2.285 1.00 0.00 C ATOM 621 CG ASP A 56 2.632 -8.360 -3.343 1.00 0.00 C ATOM 622 OD1 ASP A 56 3.163 -8.856 -4.321 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.469 -7.169 -3.114 1.00 0.00 O ATOM 0 H ASP A 56 1.805 -10.308 0.086 1.00 0.00 H new ATOM 0 HA ASP A 56 3.911 -10.506 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.574 -10.166 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.364 -8.839 -1.650 1.00 0.00 H new ATOM 628 N TYR A 57 3.447 -7.549 -0.956 1.00 0.00 N ATOM 629 CA TYR A 57 4.127 -6.346 -0.452 1.00 0.00 C ATOM 630 C TYR A 57 3.174 -5.434 0.303 1.00 0.00 C ATOM 631 O TYR A 57 2.360 -5.873 1.091 1.00 0.00 O ATOM 632 CB TYR A 57 4.656 -5.577 -1.666 1.00 0.00 C ATOM 633 CG TYR A 57 5.312 -6.560 -2.646 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.307 -7.425 -2.222 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.911 -6.605 -3.966 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.884 -8.317 -3.102 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.489 -7.497 -4.845 1.00 0.00 C ATOM 638 CZ TYR A 57 6.480 -8.358 -4.421 1.00 0.00 C ATOM 639 OH TYR A 57 7.063 -9.243 -5.304 1.00 0.00 O ATOM 0 H TYR A 57 2.521 -7.388 -1.352 1.00 0.00 H new ATOM 0 HA TYR A 57 4.921 -6.650 0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.841 -5.046 -2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.379 -4.826 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.634 -7.401 -1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.138 -5.936 -4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.657 -8.988 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.163 -7.522 -5.874 1.00 0.00 H new ATOM 0 HH TYR A 57 6.657 -9.137 -6.190 1.00 0.00 H new ATOM 649 N THR A 58 3.314 -4.179 0.035 1.00 0.00 N ATOM 650 CA THR A 58 2.463 -3.164 0.690 1.00 0.00 C ATOM 651 C THR A 58 2.306 -1.943 -0.216 1.00 0.00 C ATOM 652 O THR A 58 3.283 -1.416 -0.707 1.00 0.00 O ATOM 653 CB THR A 58 3.170 -2.750 1.978 1.00 0.00 C ATOM 654 OG1 THR A 58 2.515 -3.463 3.007 1.00 0.00 O ATOM 655 CG2 THR A 58 2.917 -1.275 2.316 1.00 0.00 C ATOM 0 H THR A 58 3.996 -3.804 -0.624 1.00 0.00 H new ATOM 0 HA THR A 58 1.472 -3.570 0.893 1.00 0.00 H new ATOM 0 HB THR A 58 4.240 -2.932 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.315 -4.372 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.437 -1.019 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.287 -0.647 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.847 -1.109 2.444 1.00 0.00 H new ATOM 663 N LEU A 59 1.093 -1.509 -0.432 1.00 0.00 N ATOM 664 CA LEU A 59 0.916 -0.321 -1.311 1.00 0.00 C ATOM 665 C LEU A 59 1.201 0.947 -0.539 1.00 0.00 C ATOM 666 O LEU A 59 0.863 1.056 0.617 1.00 0.00 O ATOM 667 CB LEU A 59 -0.550 -0.251 -1.807 1.00 0.00 C ATOM 668 CG LEU A 59 -0.654 -0.755 -3.259 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.628 -2.265 -3.247 1.00 0.00 C ATOM 670 CD2 LEU A 59 -1.986 -0.300 -3.860 1.00 0.00 C ATOM 0 H LEU A 59 0.239 -1.914 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 59 1.604 -0.413 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.188 -0.854 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.912 0.775 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 59 0.174 -0.359 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.701 -2.638 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.305 -2.609 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.469 -2.639 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.062 -0.656 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.809 -0.709 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.038 0.789 -3.848 1.00 0.00 H new ATOM 682 N THR A 60 1.824 1.879 -1.191 1.00 0.00 N ATOM 683 CA THR A 60 2.139 3.147 -0.514 1.00 0.00 C ATOM 684 C THR A 60 1.995 4.292 -1.488 1.00 0.00 C ATOM 685 O THR A 60 2.457 4.209 -2.610 1.00 0.00 O ATOM 686 CB THR A 60 3.571 3.096 -0.007 1.00 0.00 C ATOM 687 OG1 THR A 60 3.473 2.714 1.347 1.00 0.00 O ATOM 688 CG2 THR A 60 4.190 4.502 0.033 1.00 0.00 C ATOM 0 H THR A 60 2.127 1.813 -2.163 1.00 0.00 H new ATOM 0 HA THR A 60 1.454 3.295 0.321 1.00 0.00 H new ATOM 0 HB THR A 60 4.163 2.437 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.698 2.126 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.215 4.438 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.189 4.929 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.606 5.138 0.698 1.00 0.00 H new ATOM 696 N LEU A 61 1.346 5.341 -1.056 1.00 0.00 N ATOM 697 CA LEU A 61 1.167 6.498 -1.957 1.00 0.00 C ATOM 698 C LEU A 61 1.374 7.800 -1.242 1.00 0.00 C ATOM 699 O LEU A 61 1.135 7.918 -0.058 1.00 0.00 O ATOM 700 CB LEU A 61 -0.261 6.486 -2.524 1.00 0.00 C ATOM 701 CG LEU A 61 -1.150 5.539 -1.712 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.610 5.862 -2.022 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.874 4.068 -2.096 1.00 0.00 C ATOM 0 H LEU A 61 0.939 5.439 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 61 1.909 6.413 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.676 7.493 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.242 6.172 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.937 5.671 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.259 5.197 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.820 6.896 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.795 5.724 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.516 3.412 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.082 3.924 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.170 3.829 -1.895 1.00 0.00 H new ATOM 715 N ARG A 62 1.823 8.769 -1.985 1.00 0.00 N ATOM 716 CA ARG A 62 2.055 10.076 -1.389 1.00 0.00 C ATOM 717 C ARG A 62 0.768 10.863 -1.401 1.00 0.00 C ATOM 718 O ARG A 62 0.366 11.392 -2.425 1.00 0.00 O ATOM 719 CB ARG A 62 3.113 10.809 -2.224 1.00 0.00 C ATOM 720 CG ARG A 62 3.525 12.092 -1.503 1.00 0.00 C ATOM 721 CD ARG A 62 4.193 11.742 -0.162 1.00 0.00 C ATOM 722 NE ARG A 62 5.282 12.720 0.110 1.00 0.00 N ATOM 723 CZ ARG A 62 6.153 12.465 1.048 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.676 11.269 1.119 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.477 13.415 1.883 1.00 0.00 N ATOM 0 H ARG A 62 2.035 8.696 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 62 2.400 9.968 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.982 10.168 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.715 11.045 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.213 12.665 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.651 12.721 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.457 11.765 0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.596 10.730 -0.196 1.00 0.00 H new ATOM 0 HE ARG A 62 5.347 13.582 -0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.402 10.552 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.358 11.053 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.051 14.338 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.156 13.234 2.623 1.00 0.00 H new ATOM 739 N LYS A 63 0.145 10.911 -0.259 1.00 0.00 N ATOM 740 CA LYS A 63 -1.130 11.644 -0.127 1.00 0.00 C ATOM 741 C LYS A 63 -0.961 12.826 0.820 1.00 0.00 C ATOM 742 O LYS A 63 -0.604 12.663 1.968 1.00 0.00 O ATOM 743 CB LYS A 63 -2.158 10.640 0.429 1.00 0.00 C ATOM 744 CG LYS A 63 -3.388 11.348 1.009 1.00 0.00 C ATOM 745 CD LYS A 63 -3.363 11.179 2.530 1.00 0.00 C ATOM 746 CE LYS A 63 -4.505 11.992 3.151 1.00 0.00 C ATOM 747 NZ LYS A 63 -4.665 11.657 4.595 1.00 0.00 N ATOM 0 H LYS A 63 0.474 10.465 0.597 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.460 12.044 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.470 9.961 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.690 10.031 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.379 12.405 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.302 10.923 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.467 10.126 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.405 11.513 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.302 13.057 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.435 11.787 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.443 12.218 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.880 10.644 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.783 11.875 5.102 1.00 0.00 H new ATOM 761 N GLY A 64 -1.216 14.002 0.310 1.00 0.00 N ATOM 762 CA GLY A 64 -1.077 15.213 1.164 1.00 0.00 C ATOM 763 C GLY A 64 0.357 15.347 1.655 1.00 0.00 C ATOM 764 O GLY A 64 0.622 15.991 2.652 1.00 0.00 O ATOM 0 H GLY A 64 -1.511 14.174 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.360 16.101 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.756 15.147 2.014 1.00 0.00 H new ATOM 768 N GLY A 65 1.253 14.735 0.945 1.00 0.00 N ATOM 769 CA GLY A 65 2.682 14.809 1.349 1.00 0.00 C ATOM 770 C GLY A 65 2.969 13.798 2.456 1.00 0.00 C ATOM 771 O GLY A 65 4.085 13.691 2.925 1.00 0.00 O ATOM 0 H GLY A 65 1.063 14.188 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.322 14.609 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.918 15.815 1.695 1.00 0.00 H new ATOM 775 N ASN A 66 1.945 13.073 2.846 1.00 0.00 N ATOM 776 CA ASN A 66 2.121 12.060 3.919 1.00 0.00 C ATOM 777 C ASN A 66 2.068 10.658 3.343 1.00 0.00 C ATOM 778 O ASN A 66 1.038 10.208 2.882 1.00 0.00 O ATOM 779 CB ASN A 66 0.979 12.219 4.931 1.00 0.00 C ATOM 780 CG ASN A 66 1.379 11.543 6.245 1.00 0.00 C ATOM 781 OD1 ASN A 66 0.942 11.928 7.311 1.00 0.00 O ATOM 782 ND2 ASN A 66 2.206 10.534 6.210 1.00 0.00 N ATOM 0 H ASN A 66 1.002 13.144 2.465 1.00 0.00 H new ATOM 0 HA ASN A 66 3.090 12.210 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.770 13.275 5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.065 11.772 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.483 10.072 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.575 10.208 5.317 1.00 0.00 H new ATOM 789 N ASN A 67 3.180 9.990 3.382 1.00 0.00 N ATOM 790 CA ASN A 67 3.222 8.615 2.843 1.00 0.00 C ATOM 791 C ASN A 67 2.152 7.737 3.487 1.00 0.00 C ATOM 792 O ASN A 67 2.278 7.336 4.628 1.00 0.00 O ATOM 793 CB ASN A 67 4.612 8.023 3.155 1.00 0.00 C ATOM 794 CG ASN A 67 4.479 6.535 3.495 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.021 6.060 4.473 1.00 0.00 O ATOM 796 ND2 ASN A 67 3.771 5.767 2.716 1.00 0.00 N ATOM 0 H ASN A 67 4.060 10.338 3.764 1.00 0.00 H new ATOM 0 HA ASN A 67 3.036 8.646 1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.273 8.152 2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.066 8.557 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.675 4.774 2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.313 6.159 1.893 1.00 0.00 H new ATOM 803 N LYS A 68 1.107 7.467 2.752 1.00 0.00 N ATOM 804 CA LYS A 68 0.034 6.620 3.303 1.00 0.00 C ATOM 805 C LYS A 68 0.345 5.155 3.009 1.00 0.00 C ATOM 806 O LYS A 68 0.645 4.807 1.887 1.00 0.00 O ATOM 807 CB LYS A 68 -1.266 7.006 2.601 1.00 0.00 C ATOM 808 CG LYS A 68 -2.448 6.490 3.408 1.00 0.00 C ATOM 809 CD LYS A 68 -3.525 6.021 2.440 1.00 0.00 C ATOM 810 CE LYS A 68 -4.864 5.932 3.178 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.416 7.295 3.423 1.00 0.00 N ATOM 0 H LYS A 68 0.958 7.799 1.799 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.050 6.759 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.328 8.089 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.287 6.587 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.136 5.670 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.837 7.276 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.604 6.714 1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.259 5.048 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.572 5.347 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.730 5.412 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.441 7.230 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.957 7.710 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.235 7.897 2.594 1.00 0.00 H new ATOM 825 N LEU A 69 0.264 4.321 4.021 1.00 0.00 N ATOM 826 CA LEU A 69 0.560 2.873 3.800 1.00 0.00 C ATOM 827 C LEU A 69 -0.703 2.021 3.658 1.00 0.00 C ATOM 828 O LEU A 69 -1.691 2.239 4.331 1.00 0.00 O ATOM 829 CB LEU A 69 1.358 2.356 5.010 1.00 0.00 C ATOM 830 CG LEU A 69 2.249 1.200 4.556 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.598 1.752 4.083 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.484 0.248 5.729 1.00 0.00 C ATOM 0 H LEU A 69 0.010 4.577 4.975 1.00 0.00 H new ATOM 0 HA LEU A 69 1.119 2.789 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.965 3.157 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.679 2.023 5.795 1.00 0.00 H new ATOM 0 HG LEU A 69 1.762 0.667 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.235 0.929 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.439 2.437 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.081 2.283 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.119 -0.577 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.972 0.786 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.528 -0.144 6.076 1.00 0.00 H new ATOM 844 N ILE A 70 -0.624 1.054 2.769 1.00 0.00 N ATOM 845 CA ILE A 70 -1.782 0.143 2.529 1.00 0.00 C ATOM 846 C ILE A 70 -1.274 -1.292 2.373 1.00 0.00 C ATOM 847 O ILE A 70 -0.336 -1.535 1.646 1.00 0.00 O ATOM 848 CB ILE A 70 -2.483 0.561 1.231 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.307 1.824 1.471 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.439 -0.572 0.794 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.059 2.809 0.330 1.00 0.00 C ATOM 0 H ILE A 70 0.199 0.860 2.199 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.475 0.201 3.368 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.735 0.752 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.367 1.576 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.033 2.276 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.944 -0.286 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.868 -1.486 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.180 -0.744 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.645 3.713 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.000 3.065 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.355 2.353 -0.615 1.00 0.00 H new ATOM 863 N LYS A 71 -1.901 -2.218 3.040 1.00 0.00 N ATOM 864 CA LYS A 71 -1.439 -3.632 2.921 1.00 0.00 C ATOM 865 C LYS A 71 -2.145 -4.386 1.793 1.00 0.00 C ATOM 866 O LYS A 71 -3.255 -4.072 1.420 1.00 0.00 O ATOM 867 CB LYS A 71 -1.744 -4.350 4.247 1.00 0.00 C ATOM 868 CG LYS A 71 -1.372 -5.831 4.116 1.00 0.00 C ATOM 869 CD LYS A 71 -1.268 -6.448 5.513 1.00 0.00 C ATOM 870 CE LYS A 71 -1.581 -7.946 5.428 1.00 0.00 C ATOM 871 NZ LYS A 71 -3.048 -8.181 5.559 1.00 0.00 N ATOM 0 H LYS A 71 -2.701 -2.064 3.654 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.372 -3.619 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.181 -3.892 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.801 -4.249 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.124 -6.357 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.424 -5.935 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.267 -6.296 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.964 -5.957 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.226 -8.344 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.049 -8.480 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.243 -9.201 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.377 -7.819 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.548 -7.687 4.792 1.00 0.00 H new ATOM 885 N ILE A 72 -1.457 -5.367 1.263 1.00 0.00 N ATOM 886 CA ILE A 72 -2.032 -6.185 0.158 1.00 0.00 C ATOM 887 C ILE A 72 -2.533 -7.509 0.749 1.00 0.00 C ATOM 888 O ILE A 72 -1.815 -8.146 1.495 1.00 0.00 O ATOM 889 CB ILE A 72 -0.886 -6.463 -0.843 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.825 -5.366 -1.922 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.098 -7.840 -1.511 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.881 -5.616 -3.024 1.00 0.00 C ATOM 0 H ILE A 72 -0.516 -5.635 1.552 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.858 -5.675 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 72 0.057 -6.464 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.994 -4.391 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.170 -5.342 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.288 -8.031 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.106 -8.618 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.050 -7.844 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.818 -4.828 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.694 -6.581 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.877 -5.616 -2.581 1.00 0.00 H new ATOM 904 N PHE A 73 -3.752 -7.916 0.412 1.00 0.00 N ATOM 905 CA PHE A 73 -4.254 -9.202 0.984 1.00 0.00 C ATOM 906 C PHE A 73 -4.050 -10.374 0.024 1.00 0.00 C ATOM 907 O PHE A 73 -4.776 -10.537 -0.934 1.00 0.00 O ATOM 908 CB PHE A 73 -5.760 -9.076 1.304 1.00 0.00 C ATOM 909 CG PHE A 73 -6.185 -7.598 1.339 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.420 -6.655 2.009 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.342 -7.187 0.695 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.805 -5.327 2.031 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.722 -5.858 0.719 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.952 -4.931 1.384 1.00 0.00 C ATOM 0 H PHE A 73 -4.391 -7.425 -0.213 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.683 -9.400 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.343 -9.610 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.973 -9.544 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.517 -6.960 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.950 -7.910 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.204 -4.600 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.625 -5.547 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.249 -3.893 1.398 1.00 0.00 H new ATOM 924 N HIS A 74 -3.047 -11.162 0.318 1.00 0.00 N ATOM 925 CA HIS A 74 -2.733 -12.348 -0.531 1.00 0.00 C ATOM 926 C HIS A 74 -2.987 -13.610 0.296 1.00 0.00 C ATOM 927 O HIS A 74 -3.114 -13.524 1.500 1.00 0.00 O ATOM 928 CB HIS A 74 -1.242 -12.281 -0.901 1.00 0.00 C ATOM 929 CG HIS A 74 -0.720 -13.691 -1.167 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.207 -14.437 -0.310 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.683 -14.404 -2.344 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.154 -15.545 -0.811 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.113 -15.620 -2.115 1.00 0.00 N ATOM 0 H HIS A 74 -2.427 -11.032 1.118 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.347 -12.362 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.103 -11.658 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.676 -11.819 -0.092 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.092 -14.187 0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.048 -14.055 -3.298 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.624 -16.337 -0.246 1.00 0.00 H new ATOM 941 N ARG A 75 -3.060 -14.761 -0.327 1.00 0.00 N ATOM 942 CA ARG A 75 -3.310 -15.975 0.505 1.00 0.00 C ATOM 943 C ARG A 75 -3.039 -17.284 -0.233 1.00 0.00 C ATOM 944 O ARG A 75 -2.141 -18.019 0.124 1.00 0.00 O ATOM 945 CB ARG A 75 -4.781 -15.957 0.942 1.00 0.00 C ATOM 946 CG ARG A 75 -4.849 -15.909 2.472 1.00 0.00 C ATOM 947 CD ARG A 75 -6.307 -15.773 2.910 1.00 0.00 C ATOM 948 NE ARG A 75 -6.371 -15.832 4.399 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.257 -16.599 4.972 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.484 -16.169 5.086 1.00 0.00 N ATOM 951 NH2 ARG A 75 -6.888 -17.770 5.413 1.00 0.00 N ATOM 0 H ARG A 75 -2.962 -14.910 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.623 -15.939 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.289 -15.092 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.295 -16.844 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.413 -16.814 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.265 -15.069 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.722 -14.831 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.908 -16.572 2.475 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.728 -15.278 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.736 -15.247 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.190 -16.755 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.920 -18.073 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.568 -18.383 5.864 1.00 0.00 H new ATOM 965 N ASP A 76 -3.814 -17.559 -1.242 1.00 0.00 N ATOM 966 CA ASP A 76 -3.595 -18.823 -1.992 1.00 0.00 C ATOM 967 C ASP A 76 -2.595 -18.638 -3.126 1.00 0.00 C ATOM 968 O ASP A 76 -1.670 -19.410 -3.267 1.00 0.00 O ATOM 969 CB ASP A 76 -4.938 -19.266 -2.581 1.00 0.00 C ATOM 970 CG ASP A 76 -5.448 -20.491 -1.817 1.00 0.00 C ATOM 971 OD1 ASP A 76 -5.963 -20.277 -0.733 1.00 0.00 O ATOM 972 OD2 ASP A 76 -5.294 -21.571 -2.363 1.00 0.00 O ATOM 0 H ASP A 76 -4.579 -16.973 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.193 -19.571 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.662 -18.454 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.823 -19.505 -3.638 1.00 0.00 H new ATOM 977 N GLY A 77 -2.794 -17.623 -3.910 1.00 0.00 N ATOM 978 CA GLY A 77 -1.855 -17.382 -5.039 1.00 0.00 C ATOM 979 C GLY A 77 -2.322 -16.192 -5.865 1.00 0.00 C ATOM 980 O GLY A 77 -1.808 -15.938 -6.938 1.00 0.00 O ATOM 0 H GLY A 77 -3.558 -16.953 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.852 -17.196 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.796 -18.270 -5.668 1.00 0.00 H new ATOM 984 N LYS A 78 -3.294 -15.493 -5.341 1.00 0.00 N ATOM 985 CA LYS A 78 -3.831 -14.321 -6.043 1.00 0.00 C ATOM 986 C LYS A 78 -3.734 -13.073 -5.152 1.00 0.00 C ATOM 987 O LYS A 78 -2.890 -13.013 -4.286 1.00 0.00 O ATOM 988 CB LYS A 78 -5.309 -14.612 -6.414 1.00 0.00 C ATOM 989 CG LYS A 78 -6.073 -15.263 -5.250 1.00 0.00 C ATOM 990 CD LYS A 78 -6.703 -16.590 -5.722 1.00 0.00 C ATOM 991 CE LYS A 78 -5.610 -17.636 -5.996 1.00 0.00 C ATOM 992 NZ LYS A 78 -5.249 -17.645 -7.443 1.00 0.00 N ATOM 0 H LYS A 78 -3.735 -15.697 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.253 -14.129 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.802 -13.682 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.343 -15.269 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.397 -15.447 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.849 -14.588 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.390 -16.964 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.288 -16.421 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.727 -17.415 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.960 -18.624 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.106 -18.625 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.017 -17.212 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.372 -17.104 -7.585 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.591 -12.102 -5.381 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.541 -10.867 -4.550 1.00 0.00 C ATOM 1008 C TYR A 79 -5.899 -10.497 -4.018 1.00 0.00 C ATOM 1009 O TYR A 79 -6.900 -10.996 -4.466 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.070 -9.725 -5.438 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.576 -9.839 -5.657 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.080 -10.638 -6.659 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.707 -9.124 -4.875 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.723 -10.717 -6.882 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.353 -9.197 -5.092 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.155 -9.996 -6.097 1.00 0.00 C ATOM 1017 OH TYR A 79 1.514 -10.067 -6.313 1.00 0.00 O ATOM 0 H TYR A 79 -5.313 -12.116 -6.101 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.872 -11.046 -3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.592 -9.755 -6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.308 -8.768 -4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.759 -11.208 -7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.090 -8.498 -4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.344 -11.346 -7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.320 -8.625 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 79 1.986 -9.638 -5.569 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.900 -9.610 -3.069 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.176 -9.168 -2.470 1.00 0.00 C ATOM 1029 C GLY A 80 -7.162 -7.664 -2.322 1.00 0.00 C ATOM 1030 O GLY A 80 -6.295 -7.109 -1.662 1.00 0.00 O ATOM 0 H GLY A 80 -5.064 -9.171 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.012 -9.476 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.317 -9.640 -1.498 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.103 -7.033 -2.950 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.174 -5.574 -2.869 1.00 0.00 C ATOM 1036 C PHE A 81 -9.611 -5.113 -3.021 1.00 0.00 C ATOM 1037 O PHE A 81 -10.001 -4.082 -2.509 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.348 -4.995 -4.013 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.350 -4.015 -3.431 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.210 -4.470 -2.805 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.596 -2.663 -3.477 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.335 -3.580 -2.228 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.720 -1.775 -2.901 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.591 -2.237 -2.275 1.00 0.00 C ATOM 0 H PHE A 81 -8.826 -7.475 -3.517 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.793 -5.240 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.830 -5.791 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.995 -4.495 -4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.003 -5.529 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.484 -2.296 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.444 -3.942 -1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.920 -0.715 -2.941 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.903 -1.540 -1.819 1.00 0.00 H new ATOM 1054 N SER A 82 -10.367 -5.902 -3.728 1.00 0.00 N ATOM 1055 CA SER A 82 -11.798 -5.565 -3.952 1.00 0.00 C ATOM 1056 C SER A 82 -12.663 -6.799 -3.788 1.00 0.00 C ATOM 1057 O SER A 82 -13.394 -6.929 -2.826 1.00 0.00 O ATOM 1058 CB SER A 82 -11.952 -5.039 -5.380 1.00 0.00 C ATOM 1059 OG SER A 82 -12.202 -3.650 -5.216 1.00 0.00 O ATOM 0 H SER A 82 -10.054 -6.770 -4.163 1.00 0.00 H new ATOM 0 HA SER A 82 -12.111 -4.815 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.051 -5.215 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.773 -5.533 -5.900 1.00 0.00 H new ATOM 0 HG SER A 82 -12.313 -3.231 -6.095 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.568 -7.678 -4.734 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.374 -8.917 -4.661 1.00 0.00 C ATOM 1067 C ASP A 83 -12.724 -9.892 -3.673 1.00 0.00 C ATOM 1068 O ASP A 83 -11.586 -9.713 -3.303 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.390 -9.562 -6.058 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.802 -9.475 -6.643 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.271 -8.354 -6.753 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -15.328 -10.531 -6.950 1.00 0.00 O ATOM 0 H ASP A 83 -11.968 -7.593 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.387 -8.687 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.681 -9.055 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.075 -10.603 -5.993 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.468 -10.909 -3.249 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.935 -11.896 -2.307 1.00 0.00 C ATOM 1079 C PRO A 84 -11.803 -12.722 -2.953 1.00 0.00 C ATOM 1080 O PRO A 84 -11.937 -13.911 -3.170 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.150 -12.808 -1.970 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.300 -12.419 -2.947 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.873 -11.124 -3.656 1.00 0.00 C ATOM 0 HA PRO A 84 -12.505 -11.427 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.886 -13.859 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.461 -12.669 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.476 -13.215 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.233 -12.271 -2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.960 -11.220 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.503 -10.285 -3.359 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.701 -12.070 -3.241 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.568 -12.793 -3.865 1.00 0.00 C ATOM 1093 C LEU A 85 -10.081 -13.742 -4.941 1.00 0.00 C ATOM 1094 O LEU A 85 -10.123 -14.942 -4.752 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.834 -13.593 -2.753 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.816 -12.673 -2.036 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.012 -12.774 -0.531 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.392 -13.113 -2.371 1.00 0.00 C ATOM 0 H LEU A 85 -10.546 -11.077 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.883 -12.086 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.556 -13.983 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.321 -14.451 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.974 -11.647 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.295 -12.126 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.025 -12.464 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.857 -13.805 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.681 -12.461 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.242 -14.141 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.236 -13.051 -3.448 1.00 0.00 H new ATOM 1110 N THR A 86 -10.465 -13.174 -6.066 1.00 0.00 N ATOM 1111 CA THR A 86 -10.981 -14.020 -7.168 1.00 0.00 C ATOM 1112 C THR A 86 -10.606 -13.457 -8.549 1.00 0.00 C ATOM 1113 O THR A 86 -10.772 -14.129 -9.548 1.00 0.00 O ATOM 1114 CB THR A 86 -12.515 -14.050 -7.049 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.775 -14.416 -5.710 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.126 -15.191 -7.885 1.00 0.00 C ATOM 0 H THR A 86 -10.440 -12.172 -6.256 1.00 0.00 H new ATOM 0 HA THR A 86 -10.542 -15.014 -7.084 1.00 0.00 H new ATOM 0 HB THR A 86 -12.922 -13.091 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.743 -14.453 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.211 -15.181 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.865 -15.053 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.735 -16.147 -7.536 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.111 -12.236 -8.592 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.738 -11.664 -9.923 1.00 0.00 C ATOM 1126 C PHE A 87 -8.435 -12.279 -10.420 1.00 0.00 C ATOM 1127 O PHE A 87 -8.213 -12.387 -11.606 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.605 -10.128 -9.827 1.00 0.00 C ATOM 1129 CG PHE A 87 -9.012 -9.707 -8.482 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.766 -9.757 -7.323 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.733 -9.208 -8.423 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.238 -9.307 -6.129 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.208 -8.758 -7.235 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.959 -8.807 -6.089 1.00 0.00 C ATOM 0 H PHE A 87 -9.954 -11.630 -7.786 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.527 -11.902 -10.637 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.972 -9.764 -10.636 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.584 -9.667 -9.956 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.772 -10.150 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.133 -9.169 -9.320 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.830 -9.348 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.202 -8.365 -7.204 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.546 -8.453 -5.156 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.603 -12.657 -9.489 1.00 0.00 N ATOM 1145 CA ASN A 88 -6.274 -13.293 -9.838 1.00 0.00 C ATOM 1146 C ASN A 88 -5.171 -12.328 -10.329 1.00 0.00 C ATOM 1147 O ASN A 88 -4.124 -12.786 -10.746 1.00 0.00 O ATOM 1148 CB ASN A 88 -6.511 -14.363 -10.925 1.00 0.00 C ATOM 1149 CG ASN A 88 -7.848 -15.063 -10.664 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -8.563 -15.425 -11.577 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -8.223 -15.270 -9.429 1.00 0.00 N ATOM 0 H ASN A 88 -7.777 -12.557 -8.489 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.899 -13.708 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.516 -13.900 -11.912 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.699 -15.090 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.111 -15.733 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.627 -14.969 -8.658 1.00 0.00 H new ATOM 1158 N SER A 89 -5.383 -11.037 -10.285 1.00 0.00 N ATOM 1159 CA SER A 89 -4.276 -10.143 -10.772 1.00 0.00 C ATOM 1160 C SER A 89 -4.483 -8.684 -10.405 1.00 0.00 C ATOM 1161 O SER A 89 -5.554 -8.131 -10.566 1.00 0.00 O ATOM 1162 CB SER A 89 -4.184 -10.254 -12.286 1.00 0.00 C ATOM 1163 OG SER A 89 -5.281 -11.085 -12.645 1.00 0.00 O ATOM 0 H SER A 89 -6.229 -10.575 -9.951 1.00 0.00 H new ATOM 0 HA SER A 89 -3.358 -10.475 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.254 -9.276 -12.761 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.235 -10.692 -12.596 1.00 0.00 H new ATOM 0 HG SER A 89 -5.295 -11.207 -13.617 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.420 -8.067 -9.977 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.519 -6.643 -9.590 1.00 0.00 C ATOM 1171 C VAL A 90 -3.484 -5.758 -10.809 1.00 0.00 C ATOM 1172 O VAL A 90 -4.143 -4.740 -10.860 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.332 -6.293 -8.682 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.699 -5.075 -7.827 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.035 -7.478 -7.762 1.00 0.00 C ATOM 0 H VAL A 90 -2.495 -8.486 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.462 -6.482 -9.067 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.455 -6.070 -9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.861 -4.820 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.926 -4.230 -8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.572 -5.308 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.192 -7.234 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.912 -7.693 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.789 -8.353 -8.364 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.720 -6.159 -11.774 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.635 -5.350 -12.995 1.00 0.00 C ATOM 1187 C VAL A 91 -4.023 -5.181 -13.569 1.00 0.00 C ATOM 1188 O VAL A 91 -4.332 -4.186 -14.186 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.741 -6.095 -14.009 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.048 -5.090 -14.941 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.679 -6.877 -13.248 1.00 0.00 C ATOM 0 H VAL A 91 -2.155 -7.008 -11.766 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.213 -4.369 -12.777 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.357 -6.769 -14.604 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.420 -5.627 -15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.801 -4.517 -15.482 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.431 -4.412 -14.351 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.041 -7.408 -13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.073 -6.189 -12.658 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.161 -7.595 -12.585 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.833 -6.170 -13.348 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.214 -6.116 -13.856 1.00 0.00 C ATOM 1203 C GLU A 92 -7.011 -5.141 -13.007 1.00 0.00 C ATOM 1204 O GLU A 92 -7.735 -4.305 -13.514 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.820 -7.519 -13.727 1.00 0.00 C ATOM 1206 CG GLU A 92 -7.897 -7.703 -14.784 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.245 -8.113 -16.110 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -6.757 -9.231 -16.149 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.274 -7.286 -17.007 1.00 0.00 O ATOM 0 H GLU A 92 -4.592 -7.017 -12.833 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.233 -5.790 -14.896 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.044 -8.275 -13.847 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.245 -7.654 -12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.608 -8.465 -14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.458 -6.777 -14.913 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.862 -5.274 -11.716 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.591 -4.369 -10.795 1.00 0.00 C ATOM 1218 C LEU A 93 -7.070 -2.953 -10.962 1.00 0.00 C ATOM 1219 O LEU A 93 -7.758 -2.085 -11.471 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.306 -4.845 -9.349 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.894 -3.852 -8.323 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.791 -4.617 -7.360 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.759 -3.206 -7.518 1.00 0.00 C ATOM 0 H LEU A 93 -6.268 -5.970 -11.265 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.660 -4.385 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.738 -5.834 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.231 -4.939 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.459 -3.081 -8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.213 -3.927 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.598 -5.095 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.206 -5.378 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.178 -2.506 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.200 -3.980 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.091 -2.673 -8.194 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.863 -2.751 -10.514 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.247 -1.417 -10.620 1.00 0.00 C ATOM 1237 C ILE A 94 -5.585 -0.785 -11.968 1.00 0.00 C ATOM 1238 O ILE A 94 -5.902 0.383 -12.047 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.707 -1.608 -10.448 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.107 -0.554 -9.489 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.974 -1.513 -11.807 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.679 0.850 -9.769 1.00 0.00 C ATOM 0 H ILE A 94 -5.279 -3.464 -10.077 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.627 -0.744 -9.852 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.564 -2.602 -10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.319 -0.836 -8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.023 -0.535 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.904 -1.650 -11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.347 -2.288 -12.476 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.154 -0.534 -12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.237 1.568 -9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.445 1.141 -10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.761 0.836 -9.634 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.531 -1.571 -13.003 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.848 -1.023 -14.336 1.00 0.00 C ATOM 1256 C ASN A 95 -7.225 -0.379 -14.316 1.00 0.00 C ATOM 1257 O ASN A 95 -7.400 0.751 -14.755 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.847 -2.175 -15.352 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.617 -1.750 -16.602 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.095 -1.075 -17.466 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.859 -2.127 -16.739 1.00 0.00 N ATOM 0 H ASN A 95 -5.283 -2.560 -12.980 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.106 -0.273 -14.610 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.823 -2.442 -15.615 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.305 -3.062 -14.913 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.386 -1.855 -17.569 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.303 -2.694 -16.016 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.183 -1.098 -13.787 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.548 -0.542 -13.732 1.00 0.00 C ATOM 1270 C HIS A 96 -9.552 0.763 -12.956 1.00 0.00 C ATOM 1271 O HIS A 96 -10.416 1.597 -13.149 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.461 -1.550 -13.019 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.715 -1.779 -13.866 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.889 -1.663 -13.452 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.827 -2.137 -15.196 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.731 -1.906 -14.370 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.147 -2.220 -15.526 1.00 0.00 N ATOM 0 H HIS A 96 -8.071 -2.034 -13.398 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.903 -0.354 -14.745 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.934 -2.492 -12.866 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.737 -1.175 -12.033 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.001 -2.322 -15.867 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.801 -1.863 -14.230 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.574 -2.459 -16.421 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.577 0.918 -12.089 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.502 2.166 -11.285 1.00 0.00 C ATOM 1287 C TYR A 97 -7.445 3.108 -11.824 1.00 0.00 C ATOM 1288 O TYR A 97 -7.391 4.262 -11.447 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.135 1.795 -9.844 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.364 1.213 -9.143 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.517 1.959 -9.008 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.340 -0.068 -8.645 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.623 1.434 -8.389 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.446 -0.594 -8.023 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.599 0.150 -7.889 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.707 -0.382 -7.266 1.00 0.00 O ATOM 0 H TYR A 97 -7.839 0.237 -11.909 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.469 2.667 -11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.322 1.069 -9.839 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.780 2.676 -9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.549 2.967 -9.394 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.445 -0.665 -8.743 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.518 2.031 -8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.412 -1.601 -7.635 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.512 -1.298 -6.977 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.620 2.611 -12.692 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.572 3.471 -13.255 1.00 0.00 C ATOM 1308 C ARG A 98 -6.192 4.429 -14.254 1.00 0.00 C ATOM 1309 O ARG A 98 -5.634 5.464 -14.562 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.546 2.573 -13.957 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.388 3.433 -14.488 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.061 2.661 -14.358 1.00 0.00 C ATOM 1313 NE ARG A 98 -1.165 3.048 -15.482 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.072 2.263 -16.522 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -2.146 1.665 -16.957 1.00 0.00 N ATOM 1316 NH2 ARG A 98 0.092 2.103 -17.088 1.00 0.00 N ATOM 0 H ARG A 98 -6.631 1.649 -13.031 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.086 4.049 -12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.167 1.824 -13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.020 2.035 -14.778 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.566 3.695 -15.531 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.332 4.368 -13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.586 2.886 -13.403 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.246 1.587 -14.377 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.630 3.916 -15.441 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.039 1.814 -16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.093 1.048 -17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.910 2.587 -16.718 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.184 1.494 -17.901 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.348 4.056 -14.743 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.050 4.917 -15.728 1.00 0.00 C ATOM 1332 C ASN A 99 -9.220 5.648 -15.072 1.00 0.00 C ATOM 1333 O ASN A 99 -9.669 6.668 -15.561 1.00 0.00 O ATOM 1334 CB ASN A 99 -8.605 4.021 -16.832 1.00 0.00 C ATOM 1335 CG ASN A 99 -7.914 4.355 -18.157 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.389 5.160 -18.932 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -6.792 3.757 -18.452 1.00 0.00 N ATOM 0 H ASN A 99 -7.832 3.192 -14.499 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.349 5.652 -16.123 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.444 2.973 -16.580 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.682 4.165 -16.925 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.318 3.967 -19.330 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.389 3.080 -17.804 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.689 5.105 -13.970 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.836 5.741 -13.252 1.00 0.00 C ATOM 1346 C GLU A 100 -10.408 6.367 -11.924 1.00 0.00 C ATOM 1347 O GLU A 100 -9.740 7.383 -11.898 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.879 4.653 -12.963 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.377 4.074 -14.287 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.858 3.716 -14.159 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.237 3.363 -13.053 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.529 3.816 -15.173 1.00 0.00 O ATOM 0 H GLU A 100 -9.327 4.253 -13.541 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.238 6.534 -13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.441 3.866 -12.349 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.712 5.071 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.234 4.798 -15.090 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.799 3.188 -14.550 1.00 0.00 H new ATOM 1359 N SER A 101 -10.805 5.743 -10.844 1.00 0.00 N ATOM 1360 CA SER A 101 -10.443 6.274 -9.509 1.00 0.00 C ATOM 1361 C SER A 101 -10.941 5.330 -8.432 1.00 0.00 C ATOM 1362 O SER A 101 -12.020 4.784 -8.537 1.00 0.00 O ATOM 1363 CB SER A 101 -11.121 7.642 -9.328 1.00 0.00 C ATOM 1364 OG SER A 101 -10.153 8.572 -9.789 1.00 0.00 O ATOM 0 H SER A 101 -11.364 4.890 -10.836 1.00 0.00 H new ATOM 0 HA SER A 101 -9.360 6.371 -9.431 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.044 7.709 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.382 7.823 -8.285 1.00 0.00 H new ATOM 0 HG SER A 101 -10.102 8.533 -10.767 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.154 5.144 -7.416 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.585 4.230 -6.335 1.00 0.00 C ATOM 1372 C LEU A 102 -11.730 4.814 -5.512 1.00 0.00 C ATOM 1373 O LEU A 102 -11.540 5.235 -4.386 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.381 3.950 -5.419 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.267 3.274 -6.242 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.924 3.560 -5.588 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.482 1.754 -6.272 1.00 0.00 C ATOM 0 H LEU A 102 -9.241 5.581 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.949 3.309 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.015 4.880 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.680 3.307 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.289 3.665 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.130 3.085 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.756 4.637 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.922 3.164 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.690 1.286 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.462 1.364 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.447 1.532 -6.727 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.908 4.830 -6.107 1.00 0.00 N ATOM 1390 CA ALA A 103 -14.097 5.370 -5.403 1.00 0.00 C ATOM 1391 C ALA A 103 -14.784 4.268 -4.615 1.00 0.00 C ATOM 1392 O ALA A 103 -15.542 4.529 -3.700 1.00 0.00 O ATOM 1393 CB ALA A 103 -15.080 5.918 -6.452 1.00 0.00 C ATOM 0 H ALA A 103 -13.084 4.489 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.786 6.158 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -15.961 6.319 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.597 6.709 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.380 5.114 -7.124 1.00 0.00 H new ATOM 1399 N GLN A 104 -14.504 3.052 -4.990 1.00 0.00 N ATOM 1400 CA GLN A 104 -15.123 1.902 -4.283 1.00 0.00 C ATOM 1401 C GLN A 104 -14.314 1.550 -3.045 1.00 0.00 C ATOM 1402 O GLN A 104 -14.865 1.265 -2.000 1.00 0.00 O ATOM 1403 CB GLN A 104 -15.120 0.693 -5.227 1.00 0.00 C ATOM 1404 CG GLN A 104 -16.312 0.788 -6.180 1.00 0.00 C ATOM 1405 CD GLN A 104 -16.085 -0.156 -7.365 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -16.557 -1.276 -7.382 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -15.366 0.256 -8.375 1.00 0.00 N ATOM 0 H GLN A 104 -13.874 2.807 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 104 -16.139 2.164 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.189 0.663 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.173 -0.231 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -17.232 0.522 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -16.430 1.812 -6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.967 1.195 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -15.204 -0.361 -9.171 1.00 0.00 H new ATOM 1416 N TYR A 105 -13.015 1.566 -3.194 1.00 0.00 N ATOM 1417 CA TYR A 105 -12.138 1.238 -2.044 1.00 0.00 C ATOM 1418 C TYR A 105 -12.650 1.931 -0.797 1.00 0.00 C ATOM 1419 O TYR A 105 -12.912 1.312 0.215 1.00 0.00 O ATOM 1420 CB TYR A 105 -10.730 1.764 -2.373 1.00 0.00 C ATOM 1421 CG TYR A 105 -9.740 1.312 -1.303 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -9.462 -0.025 -1.129 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -9.090 2.242 -0.514 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.548 -0.431 -0.182 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -8.176 1.836 0.434 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.896 0.498 0.608 1.00 0.00 C ATOM 1427 OH TYR A 105 -6.977 0.092 1.553 1.00 0.00 O ATOM 0 H TYR A 105 -12.530 1.792 -4.062 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.123 0.162 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.415 1.397 -3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.744 2.852 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.964 -0.761 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.300 3.294 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.339 -1.483 -0.055 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.675 2.572 1.045 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.615 0.876 2.016 1.00 0.00 H new ATOM 1437 N ASN A 106 -12.774 3.205 -0.906 1.00 0.00 N ATOM 1438 CA ASN A 106 -13.262 4.013 0.214 1.00 0.00 C ATOM 1439 C ASN A 106 -13.972 5.265 -0.378 1.00 0.00 C ATOM 1440 O ASN A 106 -13.343 6.268 -0.622 1.00 0.00 O ATOM 1441 CB ASN A 106 -12.040 4.440 1.051 1.00 0.00 C ATOM 1442 CG ASN A 106 -12.273 4.056 2.512 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -13.364 4.180 3.031 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -11.276 3.585 3.209 1.00 0.00 N ATOM 0 H ASN A 106 -12.551 3.734 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.961 3.460 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.139 3.956 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.883 5.515 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.415 3.323 4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.358 3.479 2.778 1.00 0.00 H new ATOM 1451 N PRO A 107 -15.294 5.178 -0.615 1.00 0.00 N ATOM 1452 CA PRO A 107 -16.041 6.306 -1.181 1.00 0.00 C ATOM 1453 C PRO A 107 -15.925 7.585 -0.365 1.00 0.00 C ATOM 1454 O PRO A 107 -15.873 8.663 -0.922 1.00 0.00 O ATOM 1455 CB PRO A 107 -17.507 5.838 -1.218 1.00 0.00 C ATOM 1456 CG PRO A 107 -17.527 4.339 -0.797 1.00 0.00 C ATOM 1457 CD PRO A 107 -16.115 3.987 -0.307 1.00 0.00 C ATOM 0 HA PRO A 107 -15.640 6.560 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -18.118 6.435 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -17.925 5.962 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -18.261 4.170 -0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -17.811 3.707 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -16.111 3.770 0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -15.731 3.101 -0.813 1.00 0.00 H new ATOM 1465 N LYS A 108 -15.881 7.465 0.926 1.00 0.00 N ATOM 1466 CA LYS A 108 -15.769 8.697 1.743 1.00 0.00 C ATOM 1467 C LYS A 108 -14.416 9.394 1.520 1.00 0.00 C ATOM 1468 O LYS A 108 -14.074 10.325 2.221 1.00 0.00 O ATOM 1469 CB LYS A 108 -15.947 8.322 3.230 1.00 0.00 C ATOM 1470 CG LYS A 108 -14.690 7.637 3.761 1.00 0.00 C ATOM 1471 CD LYS A 108 -15.087 6.625 4.842 1.00 0.00 C ATOM 1472 CE LYS A 108 -13.905 6.420 5.791 1.00 0.00 C ATOM 1473 NZ LYS A 108 -12.617 6.508 5.050 1.00 0.00 N ATOM 0 H LYS A 108 -15.917 6.587 1.443 1.00 0.00 H new ATOM 0 HA LYS A 108 -16.547 9.398 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -16.155 9.218 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -16.805 7.660 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.165 7.133 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.004 8.377 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.955 6.985 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -15.371 5.677 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -13.930 7.173 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -13.986 5.447 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.890 5.960 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -12.741 6.123 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -12.319 7.503 4.988 1.00 0.00 H new ATOM 1487 N LEU A 109 -13.673 8.925 0.534 1.00 0.00 N ATOM 1488 CA LEU A 109 -12.336 9.543 0.237 1.00 0.00 C ATOM 1489 C LEU A 109 -12.078 9.561 -1.263 1.00 0.00 C ATOM 1490 O LEU A 109 -11.576 10.525 -1.798 1.00 0.00 O ATOM 1491 CB LEU A 109 -11.226 8.689 0.880 1.00 0.00 C ATOM 1492 CG LEU A 109 -11.323 8.773 2.403 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -10.314 7.810 3.031 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -11.016 10.203 2.867 1.00 0.00 C ATOM 0 H LEU A 109 -13.935 8.147 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.336 10.559 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.320 7.652 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.248 9.039 0.549 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.332 8.502 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.382 7.869 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.533 6.792 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.307 8.082 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.087 10.256 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.008 10.478 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.734 10.892 2.422 1.00 0.00 H new ATOM 1506 N ASP A 110 -12.440 8.480 -1.907 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.242 8.367 -3.379 1.00 0.00 C ATOM 1508 C ASP A 110 -10.921 8.969 -3.799 1.00 0.00 C ATOM 1509 O ASP A 110 -10.802 10.167 -3.969 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.391 9.078 -4.114 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.637 10.451 -3.484 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -14.378 10.478 -2.515 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -13.068 11.395 -4.007 1.00 0.00 O ATOM 0 H ASP A 110 -12.868 7.665 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.235 7.309 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.145 9.191 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.298 8.475 -4.060 1.00 0.00 H new ATOM 1518 N VAL A 111 -9.951 8.110 -3.986 1.00 0.00 N ATOM 1519 CA VAL A 111 -8.608 8.592 -4.397 1.00 0.00 C ATOM 1520 C VAL A 111 -8.288 8.236 -5.839 1.00 0.00 C ATOM 1521 O VAL A 111 -8.780 7.261 -6.372 1.00 0.00 O ATOM 1522 CB VAL A 111 -7.568 7.919 -3.496 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -6.479 8.932 -3.139 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.250 7.434 -2.215 1.00 0.00 C ATOM 0 H VAL A 111 -10.035 7.100 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.592 9.678 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.122 7.072 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.737 8.457 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.998 9.286 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.926 9.776 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.514 6.954 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.690 8.284 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.032 6.718 -2.468 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.459 9.047 -6.432 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.052 8.823 -7.840 1.00 0.00 C ATOM 1536 C LYS A 112 -5.536 8.749 -7.899 1.00 0.00 C ATOM 1537 O LYS A 112 -4.864 9.634 -7.406 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.543 10.015 -8.683 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.558 10.818 -7.863 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.201 11.880 -8.751 1.00 0.00 C ATOM 1541 CE LYS A 112 -10.030 12.823 -7.878 1.00 0.00 C ATOM 1542 NZ LYS A 112 -10.962 12.046 -7.011 1.00 0.00 N ATOM 0 H LYS A 112 -7.042 9.867 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.480 7.897 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.702 10.648 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.001 9.660 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.323 10.154 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.064 11.289 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.433 12.439 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.834 11.409 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.370 13.431 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.596 13.509 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.704 12.677 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.399 11.284 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.434 11.635 -6.215 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.019 7.698 -8.504 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.532 7.562 -8.593 1.00 0.00 C ATOM 1558 C LEU A 113 -3.032 7.480 -10.050 1.00 0.00 C ATOM 1559 O LEU A 113 -2.604 6.452 -10.512 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.124 6.290 -7.766 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.518 4.948 -8.460 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.573 3.853 -7.393 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.894 5.037 -9.117 1.00 0.00 C ATOM 0 H LEU A 113 -5.556 6.943 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.059 8.452 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.047 6.303 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.597 6.336 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.778 4.730 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.847 2.906 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.596 3.756 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.316 4.116 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.134 4.085 -9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.644 5.266 -8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.887 5.824 -9.871 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.089 8.597 -10.736 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.629 8.618 -12.150 1.00 0.00 C ATOM 1577 C LEU A 114 -1.225 9.200 -12.282 1.00 0.00 C ATOM 1578 O LEU A 114 -0.890 9.797 -13.287 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.601 9.493 -12.950 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.992 8.844 -12.951 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.850 9.456 -11.841 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.653 9.115 -14.293 1.00 0.00 C ATOM 0 H LEU A 114 -3.433 9.487 -10.376 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.604 7.594 -12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.654 10.490 -12.513 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.243 9.612 -13.973 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.896 7.771 -12.783 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.836 8.992 -11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.373 9.284 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.952 10.528 -12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.643 8.660 -14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.746 10.191 -14.442 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.045 8.689 -15.091 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.433 9.010 -11.270 1.00 0.00 N ATOM 1595 CA TYR A 115 0.960 9.540 -11.306 1.00 0.00 C ATOM 1596 C TYR A 115 1.920 8.525 -10.689 1.00 0.00 C ATOM 1597 O TYR A 115 2.413 8.717 -9.596 1.00 0.00 O ATOM 1598 CB TYR A 115 1.019 10.832 -10.470 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.170 11.729 -10.821 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.366 11.603 -10.147 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.059 12.683 -11.813 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.436 12.419 -10.457 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.127 13.499 -12.124 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.324 13.373 -11.448 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.391 14.190 -11.758 1.00 0.00 O ATOM 0 H TYR A 115 -0.686 8.511 -10.417 1.00 0.00 H new ATOM 0 HA TYR A 115 1.245 9.733 -12.340 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.003 10.590 -9.407 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.954 11.359 -10.663 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.467 10.860 -9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.872 12.791 -12.350 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.367 12.310 -9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.026 14.242 -12.902 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.135 14.803 -12.478 1.00 0.00 H new ATOM 1615 N PRO A 116 2.170 7.445 -11.414 1.00 0.00 N ATOM 1616 CA PRO A 116 3.066 6.397 -10.941 1.00 0.00 C ATOM 1617 C PRO A 116 4.525 6.780 -11.135 1.00 0.00 C ATOM 1618 O PRO A 116 4.878 7.370 -12.138 1.00 0.00 O ATOM 1619 CB PRO A 116 2.757 5.196 -11.845 1.00 0.00 C ATOM 1620 CG PRO A 116 1.916 5.727 -13.046 1.00 0.00 C ATOM 1621 CD PRO A 116 1.578 7.199 -12.742 1.00 0.00 C ATOM 0 HA PRO A 116 2.920 6.205 -9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.679 4.732 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.205 4.433 -11.296 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.477 5.644 -13.977 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.006 5.140 -13.169 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.998 7.867 -13.494 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.501 7.366 -12.734 1.00 0.00 H new ATOM 1629 N VAL A 117 5.348 6.438 -10.177 1.00 0.00 N ATOM 1630 CA VAL A 117 6.786 6.777 -10.302 1.00 0.00 C ATOM 1631 C VAL A 117 7.553 5.540 -10.723 1.00 0.00 C ATOM 1632 O VAL A 117 7.394 4.494 -10.142 1.00 0.00 O ATOM 1633 CB VAL A 117 7.313 7.232 -8.940 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.166 8.752 -8.816 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.503 6.559 -7.843 1.00 0.00 C ATOM 0 H VAL A 117 5.085 5.944 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 117 6.912 7.569 -11.040 1.00 0.00 H new ATOM 0 HB VAL A 117 8.364 6.960 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.542 9.076 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.737 9.238 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.115 9.025 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.873 6.879 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.454 6.838 -7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.600 5.477 -7.931 1.00 0.00 H new ATOM 1645 N SER A 118 8.347 5.664 -11.738 1.00 0.00 N ATOM 1646 CA SER A 118 9.108 4.507 -12.186 1.00 0.00 C ATOM 1647 C SER A 118 10.414 4.916 -12.842 1.00 0.00 C ATOM 1648 O SER A 118 10.630 6.075 -13.136 1.00 0.00 O ATOM 1649 CB SER A 118 8.258 3.798 -13.213 1.00 0.00 C ATOM 1650 OG SER A 118 7.349 4.794 -13.658 1.00 0.00 O ATOM 0 H SER A 118 8.494 6.522 -12.270 1.00 0.00 H new ATOM 0 HA SER A 118 9.347 3.875 -11.331 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.863 3.415 -14.035 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.735 2.947 -12.778 1.00 0.00 H new ATOM 0 HG SER A 118 6.753 4.413 -14.337 1.00 0.00 H new ATOM 1656 N LYS A 119 11.262 3.942 -13.056 1.00 0.00 N ATOM 1657 CA LYS A 119 12.573 4.216 -13.693 1.00 0.00 C ATOM 1658 C LYS A 119 12.677 3.434 -14.988 1.00 0.00 C ATOM 1659 O LYS A 119 13.720 3.379 -15.609 1.00 0.00 O ATOM 1660 CB LYS A 119 13.695 3.744 -12.747 1.00 0.00 C ATOM 1661 CG LYS A 119 13.522 4.399 -11.362 1.00 0.00 C ATOM 1662 CD LYS A 119 13.902 5.887 -11.429 1.00 0.00 C ATOM 1663 CE LYS A 119 15.032 6.157 -10.434 1.00 0.00 C ATOM 1664 NZ LYS A 119 16.178 5.236 -10.682 1.00 0.00 N ATOM 0 H LYS A 119 11.096 2.965 -12.813 1.00 0.00 H new ATOM 0 HA LYS A 119 12.666 5.283 -13.894 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.670 2.658 -12.652 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.668 4.005 -13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.490 4.294 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.147 3.889 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.218 6.150 -12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.037 6.508 -11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.363 7.192 -10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.667 6.026 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 17.071 5.733 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 16.099 4.408 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 16.164 4.924 -11.674 1.00 0.00 H new ATOM 1678 N TYR A 120 11.581 2.834 -15.370 1.00 0.00 N ATOM 1679 CA TYR A 120 11.567 2.046 -16.610 1.00 0.00 C ATOM 1680 C TYR A 120 12.149 2.845 -17.769 1.00 0.00 C ATOM 1681 O TYR A 120 13.220 2.457 -18.208 1.00 0.00 O ATOM 1682 CB TYR A 120 10.112 1.705 -16.920 1.00 0.00 C ATOM 1683 CG TYR A 120 9.757 0.350 -16.293 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.781 0.183 -14.922 1.00 0.00 C ATOM 1685 CD2 TYR A 120 9.394 -0.718 -17.090 1.00 0.00 C ATOM 1686 CE1 TYR A 120 9.448 -1.033 -14.358 1.00 0.00 C ATOM 1687 CE2 TYR A 120 9.061 -1.934 -16.525 1.00 0.00 C ATOM 1688 CZ TYR A 120 9.085 -2.100 -15.154 1.00 0.00 C ATOM 1689 OH TYR A 120 8.746 -3.314 -14.588 1.00 0.00 O ATOM 1690 OXT TYR A 120 11.494 3.800 -18.152 1.00 0.00 O ATOM 0 H TYR A 120 10.695 2.863 -14.865 1.00 0.00 H new ATOM 0 HA TYR A 120 12.170 1.147 -16.481 1.00 0.00 H new ATOM 0 HB2 TYR A 120 9.455 2.482 -16.529 1.00 0.00 H new ATOM 0 HB3 TYR A 120 9.958 1.670 -17.998 1.00 0.00 H new ATOM 0 HD1 TYR A 120 10.062 1.010 -14.286 1.00 0.00 H new ATOM 0 HD2 TYR A 120 9.370 -0.602 -18.163 1.00 0.00 H new ATOM 0 HE1 TYR A 120 9.472 -1.150 -13.285 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.780 -2.761 -17.160 1.00 0.00 H new ATOM 0 HH TYR A 120 7.821 -3.278 -14.267 1.00 0.00 H new TER 1700 TYR A 120